ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate

C11H17N3O3S — CID 144633513

IUPACethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate
SMILESCCOC(=O)CCCCc1nnc(NC(C)=O)s1
InChIInChI=1S/C11H17N3O3S/c1-3-17-10(16)7-5-4-6-9-13-14-11(18-9)12-8(2)15/h3-7H2,1-2H3,(H,12,14,15)
InChIKeyGKZIQQMUAGYMAV-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.77
Rot. Bonds7

About ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate

ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate (PubChem CID 144633513) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate
PubChem CID144633513
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Nameethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate
SMILESCCOC(=O)CCCCc1nnc(NC(C)=O)s1
InChIInChI=1S/C11H17N3O3S/c1-3-17-10(16)7-5-4-6-9-13-14-11(18-9)12-8(2)15/h3-7H2,1-2H3,(H,12,14,15)
InChIKeyGKZIQQMUAGYMAV-UHFFFAOYSA-N
XLogP1.77
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
methyl 5-[5-[[2-(4-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]pentanoate
CID 71534293
ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 82316839
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
CID 3112368
ethyl N-[5-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 74982527
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
2-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamide
CID 175551949
pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CID 2207802

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate?
The IUPAC name of ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate (CID 144633513) is ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate.
What is the SMILES notation for ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate?
The canonical SMILES for ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate is CCOC(=O)CCCCc1nnc(NC(C)=O)s1.
What is the InChIKey of ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate?
The InChIKey is GKZIQQMUAGYMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-17-10(16)7-5-4-6-9-13-14-11(18-9)12-8(2)15/h3-7H2,1-2H3,(H,12,14,15).
What are the key properties of ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate?
ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate has a molecular weight of 271.34 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate is sourced from PubChem (CID 144633513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).